SCHEMBL4398812

SCHEMBL4398812

CC(NC(=O)OC(C)(C)C)c1cccc(C2CCN(C(=O)c3cccc(CCc4ccccc4)c3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.45
▸ KMT2A Q03164 1/20 0.41
▸ PRCP P42785 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKG1 Q13976 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ PARP14 Q460N5 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7016532 0.84 SIGMAR1 (0.46) KMT2APARP1PARP14PARP10
SCHEMBL4412740 0.79 ALDH1A1 (0.42) KMT2A
SCHEMBL30554360 0.79 ROCK2 (0.47) PPARGPRCPROCK2PRKG1
SCHEMBL20916759 0.79 ROCK2 (0.47) PPARGPRCPROCK2PRKG1
SCHEMBL20916760 0.79 ROCK2 (0.47) PPARGPRCPROCK2PRKG1
SCHEMBL15866724 0.77 ACHE (0.49) —
SCHEMBL14879910 0.75 L3MBTL3 (0.44) PARP14PARP10
SCHEMBL1381265 0.75 TPSAB1 (0.58) PARP1PARP14PARP10
SCHEMBL18652719 0.74 NAMPT (0.42) KMT2APARP1PARP14PARP10
Hydrochloric Acid SCHEMBL4408179 0.74 TPSAB1 (0.57) PARP14PARP10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 — — EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 — — US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 — — US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 — — US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 — — EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 PPARG 2757/4885KMT2A 2305/4885PRCP 276/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 PPARG 2757/4885KMT2A 2305/4885PRCP 276/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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